General Information of the Compound
| Compound ID |
CP0206888
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| Compound Name |
2-N-(3-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
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| Structure |
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| Formula |
C20H17N5O
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| Molecular Weight |
343.39
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| Canonical SMILES |
COc1cccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)c1
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| InChI |
InChI=1S/C20H17N5O/c1-26-17-7-4-6-15(12-17)24-20-21-10-9-19(25-20)23-16-11-14-5-2-3-8-18(14)22-13-16/h2-13H,1H3,(H2,21,23,24,25)
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| InChIKey |
ABWMYRMKIDRAMI-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound